1,1-dicyclopropylheptan-1-ol

C13H24O — CID 170160591

IUPAC1,1-dicyclopropylheptan-1-ol
SMILESCCCCCCC(O)(C1CC1)C1CC1
InChIInChI=1S/C13H24O/c1-2-3-4-5-10-13(14,11-6-7-11)12-8-9-12/h11-12,14H,2-10H2,1H3
InChIKeyJBBGOHPDJPHGNJ-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.51
Rot. Bonds7

About 1,1-dicyclopropylheptan-1-ol

1,1-dicyclopropylheptan-1-ol (PubChem CID 170160591) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1,1-dicyclopropylheptan-1-ol.

Molecular Properties

Compound Name1,1-dicyclopropylheptan-1-ol
PubChem CID170160591
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1,1-dicyclopropylheptan-1-ol
SMILESCCCCCCC(O)(C1CC1)C1CC1
InChIInChI=1S/C13H24O/c1-2-3-4-5-10-13(14,11-6-7-11)12-8-9-12/h11-12,14H,2-10H2,1H3
InChIKeyJBBGOHPDJPHGNJ-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclopropylheptan-1-ol?
The IUPAC name of 1,1-dicyclopropylheptan-1-ol (CID 170160591) is 1,1-dicyclopropylheptan-1-ol.
What is the SMILES notation for 1,1-dicyclopropylheptan-1-ol?
The canonical SMILES for 1,1-dicyclopropylheptan-1-ol is CCCCCCC(O)(C1CC1)C1CC1.
What is the InChIKey of 1,1-dicyclopropylheptan-1-ol?
The InChIKey is JBBGOHPDJPHGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-2-3-4-5-10-13(14,11-6-7-11)12-8-9-12/h11-12,14H,2-10H2,1H3.
What are the key properties of 1,1-dicyclopropylheptan-1-ol?
1,1-dicyclopropylheptan-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclopropylheptan-1-ol is sourced from PubChem (CID 170160591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).